Information card for entry 1571437

Structure parameters

• Formula: C46 H36 Cl2 N4 Zn
• Calculated formula: C46 H36 Cl2 N4 Zn
• Title of publication: Aggregation-induced emission organic metal halide complex for X-ray scintillation.
• Authors of publication: Shonde, Tunde Blessed; Liu, He; Olasupo, Oluwadara Joshua; Bouchard, Alexander; Bouchard, Sara; Franklin, Annaliese; Lin, Xinsong; Stand, Luis M.; Ma, Biwu
• Journal of publication: Materials horizons
• Year of publication: 2024
• Journal volume: 11
• Journal issue: 13
• Pages of publication: 3076 - 3081
• a: 21.9901 ± 0.0003 Å
• b: 11.7699 ± 0.0002 Å
• c: 15.3428 ± 0.0002 Å
• α: 90°
• β: 106.646 ± 0.001°
• γ: 90°
• Cell volume: 3804.63 ± 0.1 ų
• Cell temperature: 149.95 ± 0.15 K
• Ambient diffraction temperature: 149.95 ± 0.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0497
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1334
• Weighted residual factors for all reflections included in the refinement: 0.1378
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No